(Q76397501)

English

[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

1-linoleoyl-2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

954.767640984 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₃H₁₀₂O₆

0 references

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCC=CCC=CCC=CCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC

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Identifiers

InChI

InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-34,36,38-39,41,60H,4-6,8-9,11-15,22-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-/t60-/m1/s1

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InChIKey

WFZRDLLUISIIIZ-SLEDNOPRSA-N

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PubChem CID

9545856

1 reference

matched by identifier from

InChIKey

WFZRDLLUISIIIZ-SLEDNOPRSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

2 references

https://www.swisslipids.org/#/downloads

retrieved

6 November 2021

matched by identifier from

InChIKey

WFZRDLLUISIIIZ-SLEDNOPRSA-N

(Q76397501)

[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

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